# generated using pymatgen data_La(Al5Ru)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86797254 _cell_length_b 6.86797254 _cell_length_c 9.16754248 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.01280556 _symmetry_Int_Tables_number 1 _chemical_formula_structural La(Al5Ru)2 _chemical_formula_sum 'La2 Al20 Ru4' _cell_volume 429.18922695 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy La La0 1 0.87812054 0.12187946 0.75000000 1.0 La La1 1 0.12187946 0.87812054 0.25000000 1.0 Al Al2 1 0.62172579 0.37827421 0.55193901 1.0 Al Al3 1 0.37827421 0.62172579 0.44806099 1.0 Al Al4 1 0.37827421 0.62172579 0.05193901 1.0 Al Al5 1 0.62172579 0.37827421 0.94806099 1.0 Al Al6 1 0.22952581 0.22952581 0.50000000 1.0 Al Al7 1 0.77047419 0.77047419 0.50000000 1.0 Al Al8 1 0.77047419 0.77047419 -0.00000000 1.0 Al Al9 1 0.22952581 0.22952581 -0.00000000 1.0 Al Al10 1 0.83607744 0.16392256 0.10213049 1.0 Al Al11 1 0.16392256 0.83607744 0.89786951 1.0 Al Al12 1 0.16392256 0.83607744 0.60213049 1.0 Al Al13 1 0.83607744 0.16392256 0.39786951 1.0 Al Al14 1 0.86237627 0.59242247 0.75000000 1.0 Al Al15 1 0.13762373 0.40757753 0.25000000 1.0 Al Al16 1 0.40757753 0.13762373 0.75000000 1.0 Al Al17 1 0.59242247 0.86237627 0.25000000 1.0 Al Al18 1 0.22090279 0.48242711 0.75000000 1.0 Al Al19 1 0.77909721 0.51757289 0.25000000 1.0 Al Al20 1 0.51757289 0.77909721 0.75000000 1.0 Al Al21 1 0.48242711 0.22090279 0.25000000 1.0 Ru Ru22 1 -0.00000000 0.50000000 0.50000000 1.0 Ru Ru23 1 -0.00000000 0.50000000 -0.00000000 1.0 Ru Ru24 1 0.50000000 0.00000000 -0.00000000 1.0 Ru Ru25 1 0.50000000 0.00000000 0.50000000 1.0